N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide

C10H19N5O2S — CID 64519575

IUPACN,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC1
InChIInChI=1S/C10H19N5O2S/c1-9-3-5-15(6-4-9)18(16,17)14(2)7-10-11-8-12-13-10/h8-9H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyJHCQJFVWETXMQY-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.21
Rot. Bonds4

About N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide

N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide (PubChem CID 64519575) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
PubChem CID64519575
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC1
InChIInChI=1S/C10H19N5O2S/c1-9-3-5-15(6-4-9)18(16,17)14(2)7-10-11-8-12-13-10/h8-9H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyJHCQJFVWETXMQY-UHFFFAOYSA-N
XLogP0.21
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide (CID 64519575) is N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC1.
What is the InChIKey of N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is JHCQJFVWETXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-9-3-5-15(6-4-9)18(16,17)14(2)7-10-11-8-12-13-10/h8-9H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide?
N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 64519575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).